1-(3-chloranyl-9-fluoranyl-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: 1-(3-chloranyl-9-fluoranyl-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(3-chloro-9-fluoro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-(3-chloro-9-fluoro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine IUPAC Name: 1-(3-chloro-9-fluoro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(3-chloro-9-fluoro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C20H22ClFN2OS MolecularWeight: 392.917883

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=CC(=C(C=C24)Cl)OC

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=CC(=C(C=C24)Cl)OC

InChI

InChI=1S/C20H22ClFN2OS/c1-23-5-7-24(8-6-23)17-9-13-3-4-14(22)10-19(13)26-20-12-18(25-2)16(21)11-15(17)20/h3-4,10-12,17H,5-9H2,1-2H3